[(Z)-4-ethyloct-4-en-1,7-diyn-3-yl] 2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: [(Z)-4-ethyloct-4-en-1,7-diyn-3-yl] 2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [(Z)-2-ethyl-1-ethynyl-hex-2-en-5-ynyl] 2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid [(Z)-4-ethyloct-4-en-1,7-diyn-3-yl] ester IUPAC Name: [(Z)-4-ethyloct-4-en-1,7-diyn-3-yl] 2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: 2-(4-chlorophenyl)-3-methyl-butyric acid [(Z)-2-ethyl-1-ethynyl-hex-2-en-5-ynyl] ester Formula: C21H23ClO2 MolecularWeight: 342.85912

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CCC#C)C(C#C)OC(=O)C(C1=CC=C(C=C1)Cl)C(C)C

Isomeric SMILES

CC/C(=C/CC#C)/C(C#C)OC(=O)C(C1=CC=C(C=C1)Cl)C(C)C

InChI

InChI=1S/C21H23ClO2/c1-6-9-10-16(7-2)19(8-3)24-21(23)20(15(4)5)17-11-13-18(22)14-12-17/h1,3,10-15,19-20H,7,9H2,2,4-5H3/b16-10-